Search Results - "Morisset, Sabine"
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The sequence to hydrogenate coronene cations: A journey guided by magic numbers
Published in Scientific reports (29-01-2016)“…The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research fields and technologies such as hydrogen storage…”
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Electronic Structure and Excited States of the Collision Reaction O(3P) + C2H4: A Multiconfigurational Perspective
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22-07-2021)“…We present a study of the O(3P) + C2H4 scattering reaction, a process that takes place in the interstellar medium and is of relevance in atmospheric chemistry…”
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Spin-Orbit Interactions in Ultrafast Molecular Processes
Published in Physical review letters (24-01-2020)“…We investigate spin-orbit interactions in ultrafast molecular processes employing the exact factorization of the electron-nuclear wave function. We revisit the…”
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Internal Conversion and Intersystem Crossing with the Exact Factorization
Published in Journal of chemical theory and computation (11-08-2020)“…We present a detailed derivation of the generalized coupled-trajectory mixed quantum-classical (G-CT-MQC) algorithm based on the exact-factorization equations…”
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Evidence of hydrogenated hexamers on graphite
Published in Chemical physics letters (17-08-2009)“…We produced DFT calculations which allow us to assign already observed ‘star structure’ to hydrogenated hexamer on of graphite. Experimental and simulated STM…”
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The sequence to hydrogenate coronene cations: A journey guided by magic numbers
Published 07-03-2016“…Scientific Reports 6, Article number: 19835 (2016) The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research…”
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H$_2$ formation on interstellar dust grains: the viewpoints of theory, experiments, models and observations
Published 28-11-2017“…Molecular hydrogen is the most abundant molecule in the universe. It is the first one to form and survive photo-dissociation in tenuous environments. Its…”
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Wave-packet approach to Rydberg resonances in dissociative recombination
Published in Physical review. A, Atomic, molecular, and optical physics (01-10-2007)“…We report the time-dependent approach to resonant electron capture into Rydberg states in collisions with molecular cations at low impact energy, as an…”
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